47866
  -OEChem-05032423192D

 22 23  0     0  0  0  0  0  0999 V2000
    2.5369    0.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369    2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358    1.5615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6196    2.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1446    3.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293    3.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543    2.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
47866

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
148

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjgAAAAAAAAAAAAAAAGAAAAAAAAAAsAAAAAAAAAAABgAAAHAAQAAAACCjBAAQBEAbIEAAgAAAAJAAAAAkAAIABAIAIAACACAAACAAEAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_CAS_NAME>
N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-<I>N</I>-cyclopropyl-1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_NAME>
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopropyl-(4,6-diamino-s-triazin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
LVQDKIWDGQRHTE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.2

> <PUBCHEM_EXACT_MASS>
166.09669434

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10N6

> <PUBCHEM_MOLECULAR_WEIGHT>
166.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1NC2=NC(=NC(=N2)N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1NC2=NC(=NC(=N2)N)N

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
166.09669434

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  10  8
2  11  8
3  10  8
3  12  8
4  11  8
4  12  8

$$$$